CID 24845538

Ahr 350

Structural Information

Molecular Formula
C19H28NO2
SMILES
C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)C3=CC=CC=C3)C
InChI
InChI=1S/C19H28NO2/c1-20(2)13-12-17(14-20)22-19(21)18(16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-18H,6-7,10-14H2,1-2H3/q+1
InChIKey
TXTVBTUHVLPTGC-UHFFFAOYSA-N
Compound name
(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

302.212 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.21928 177.7
[M+Na]+ 325.20122 180.2
[M-H]- 301.20472 185.1
[M+NH4]+ 320.24582 195.8
[M+K]+ 341.17516 171.7
[M+H-H2O]+ 285.20926 172.4
[M+HCOO]- 347.21020 194.3
[M+CH3COO]- 361.22585 195.0
[M+Na-2H]- 323.18667 176.3
[M]+ 302.21145 171.9
[M]- 302.21255 171.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe